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1WCI
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BU of 1wci by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN, ...
著者Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
登録日2004-11-16
公開日2006-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
7JLT
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BU of 7jlt by Molmil
Crystal Structure of SARS-CoV-2 NSP7-NSP8 complex.
分子名称: Non-structural protein 7, Non-structural protein 8
著者Biswal, M, Hai, R, Song, J.
登録日2020-07-30
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two conserved oligomer interfaces of NSP7 and NSP8 underpin the dynamic assembly of SARS-CoV-2 RdRP.
Nucleic Acids Res., 49, 2021
4KAV
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BU of 4kav by Molmil
Crystal Structure of the soluble domain of Lipooligosaccharide phosphoethanolamine transferase A from Neisseria meningitidis
分子名称: COPPER (II) ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, MAGNESIUM ION, ...
著者Vrielink, A, Wanty, C.
登録日2013-04-23
公開日2013-07-24
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.433 Å)
主引用文献The Structure of the Neisserial Lipooligosaccharide Phosphoethanolamine Transferase A (LptA) Required for Resistance to Polymyxin.
J.Mol.Biol., 425, 2013
3QAR
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BU of 3qar by Molmil
Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 32
分子名称: 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-11
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011
2JZ3
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BU of 2jz3 by Molmil
SOCS box elonginBC ternary complex
分子名称: Suppressor of cytokine signaling 3, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2
著者Babon, J.J, Sabo, J, Soetopo, A, Yao, S, Bailey, M.F, Zhang, J, Nicola, N.A, Norton, R.S.
登録日2007-12-27
公開日2008-09-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The SOCS box domain of SOCS3: structure and interaction with the elonginBC-cullin5 ubiquitin ligase
J.Mol.Biol., 381, 2008
2ILT
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BU of 2ilt by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor
分子名称: 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T.
登録日2006-10-03
公開日2007-04-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
5NF8
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BU of 5nf8 by Molmil
Solution structure of detergent-solubilized Rcf1, a yeast mitochondrial inner membrane protein involved in respiratory Complex III/IV supercomplex formation
分子名称: Respiratory supercomplex factor 1, mitochondrial
著者Zhou, S, Pettersson, P, Sjoholm, J, Sjostrand, D, Hogbom, M, Brzezinski, P, Maler, L, Adelroth, P.
登録日2017-03-13
公開日2018-02-28
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR structure of yeast Rcf1, a protein involved in respiratory supercomplex formation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5AWM
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BU of 5awm by Molmil
The Crystal Structure of JNK from Drosophila melanogaster Reveals an Evolutionarily Conserved Topology with that of Mammalian JNK Proteins.
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Stress-activated protein kinase JNK
著者Boonserm, P.
登録日2015-07-06
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The crystal structure of JNK from Drosophila melanogaster reveals an evolutionarily conserved topology with that of mammalian JNK proteins.
Bmc Struct.Biol., 15, 2015
1ASZ
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BU of 1asz by Molmil
THE ACTIVE SITE OF YEAST ASPARTYL-TRNA SYNTHETASE: STRUCTURAL AND FUNCTIONAL ASPECTS OF THE AMINOACYLATION REACTION
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER)
著者Cavarelli, J, Rees, B, Thierry, J.C, Moras, D.
登録日1995-01-19
公開日1995-05-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction.
EMBO J., 13, 1994
7D5T
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BU of 7d5t by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Zhang, J, An, W, Ye, K.
登録日2020-09-28
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
To Be Published
3NNZ
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BU of 3nnz by Molmil
Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3S,4S)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2010-06-24
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.
Bioorg.Med.Chem.Lett., 20, 2010
3A2O
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BU of 3a2o by Molmil
Crystal Structure of HIV-1 Protease Complexed with KNI-1689
分子名称: (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide, GLYCEROL, PROTEASE
著者Adachi, M, Tamada, T, Hidaka, K, Kimura, T, Kiso, Y, Kuroki, R.
登録日2009-05-26
公開日2010-03-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
J.Med.Chem., 52, 2009
5TYI
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BU of 5tyi by Molmil
Grb7 SH2 with bicyclic peptide containing pY mimetic
分子名称: Growth factor receptor-bound protein 7, Peptide inhibitor
著者Watson, G.M, Wilce, M.C.J, Wilce, J.A.
登録日2016-11-20
公開日2017-11-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
3DBS
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BU of 3dbs by Molmil
Structure of PI3K gamma in complex with GDC0941
分子名称: 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Wiesmann, C, Ultsch, M.
登録日2008-06-02
公開日2008-06-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer
J.Med.Chem., 51, 2008
1O50
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BU of 1o50 by Molmil
Crystal structure of a cbs domain-containing protein (tm0935) from thermotoga maritima at 1.87 A resolution
分子名称: CBS domain-containing predicted protein TM0935
著者Joint Center for Structural Genomics (JCSG)
登録日2003-07-31
公開日2003-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of a tandem cystathionine-beta-synthase (CBS) domain protein (TM0935) from Thermotoga maritima at 1.87 A resolution
Proteins, 57, 2004
1T96
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BU of 1t96 by Molmil
r106g kdo8ps with pep
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ...
著者Gatti, D.L.
登録日2004-05-14
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
5T0K
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BU of 5t0k by Molmil
Structure of G9a SET-domain with H3K9M mutant peptide and SAM
分子名称: H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Xu, K, Tong, L.
登録日2016-08-16
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5T0M
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BU of 5t0m by Molmil
A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading
分子名称: Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
著者Xu, K, Tong, L.
登録日2016-08-16
公開日2016-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
1O5H
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BU of 1o5h by Molmil
Crystal structure of formiminotetrahydrofolate cyclodeaminase (TM1560) from Thermotoga maritima at 2.80 A resolution
分子名称: Formiminotetrahydrofolate cyclodeaminase
著者Joint Center for Structural Genomics (JCSG)
登録日2003-09-17
公開日2003-09-30
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a formiminotetrahydrofolate cyclodeaminase (TM1560) from Thermotoga maritima at 2.80 A resolution reveals a new fold
Proteins, 58, 2005
7KOV
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BU of 7kov by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with thiocyanate
分子名称: CHLORIDE ION, Cysteine dioxygenase type I protein, FE (III) ION, ...
著者Kiser, P.D.
登録日2020-11-10
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
1O0X
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BU of 1o0x by Molmil
Crystal structure of Methionine aminopeptidase (TM1478) from Thermotoga maritima at 1.90 A resolution
分子名称: Methionine aminopeptidase
著者Joint Center for Structural Genomics (JCSG)
登録日2002-09-13
公開日2002-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a methionine aminopeptidase (TM1478) from Thermotoga maritima at 1.9 A resolution.
Proteins, 56, 2004
1O51
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BU of 1o51 by Molmil
Crystal structure of a putative PII-like signaling protein (TM0021) from Thermotoga maritima at 2.50 A resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, Hypothetical protein TM0021, SULFATE ION
著者Joint Center for Structural Genomics (JCSG)
登録日2003-08-01
公開日2003-08-19
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a putative PII-like signaling protein (TM0021) from Thermotoga maritima at 2.5 A resolution
Proteins, 54, 2004
1O59
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Crystal structure of Allantoicase (yir029w) from Saccharomyces cerevisiae at 2.40 A resolution
分子名称: Allantoicase
著者Joint Center for Structural Genomics (JCSG)
登録日2003-08-22
公開日2003-09-02
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of an allantoicase (YIR029W) from Saccharomyces cerevisiae at 2.4 A resolution
Proteins, 56, 2004
5MPS
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BU of 5mps by Molmil
Structure of a spliceosome remodeled for exon ligation
分子名称: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
著者Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K.
登録日2016-12-18
公開日2017-01-18
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
5MQ0
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BU of 5mq0 by Molmil
Structure of a spliceosome remodeled for exon ligation
分子名称: 3'-EXON OF UBC4 PRE-MRNA, BOUND BY PRP22 HELICASE, 5'-EXON OF UBC4 PRE-MRNA, ...
著者Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K.
登録日2016-12-19
公開日2017-01-18
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017

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